10967/132 - QDB Compounds

QsarDB Repository

Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

ID:290
Name:Tiotidine
Description:Alternative name from original table: (SKB10)
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
-0.82

experimental value

-0.969

Eq2: Model for drug-like chemicals, in vivo (Training set)

-0.9338

Eq5: Model for all chemicals, in vivo and in vitro (Training set)

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